Chem
J-GLOBAL ID:200907027365155092   Nikkaji number:J1.348.383C

6-O-α-L-(3′′-O,4′′-O-Dibenzoyl)rhamnopyranosylcatalpol

6-O-α-L-(3′′-O,4′′-Oジベンゾイル)ラムノピラノシルカタルポール
Substance type:
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula: C35H40O16
Molecular formula furigana: C35-H40-O16
Molecular weight: 716.689
InChI: InChI=1S/C35H40O16/c1-16-26(47-30(42)17-8-4-2-5-9-17)28(48-31(43)18-10-6-3-7-11-18)25(41)34(45-16)49-27-19-12-13-44-32(21(19)35(15-37)29(27)51-35)50-33-24(40)23(39)22(38)20(14-36)46-33/h2-13,16,19-29,32-34,36-41H,14-15H2,1H3/t16-,19+,20+,21+,22+,23-,24+,25+,26-,27-,28-,29-,32-,33-,34-,35+/m0/s1
InChI key: NHLRRGBLZHJADR-UQRCQAGESA-N
SMILES: C[C@@H]1O[C@@H](O[C@@H]2[C@@H]3O[C@]3(CO)[C@@H]3[C@H]2C=CO[C@H]3O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1
Systematic name  (4):
  • [(1aS)-6α-[[3-O,4-O-ジベンゾイル-6-デオキシ-α-L-マンノピラノシル]オキシ]-1a,1bα,2,5aα,6,6aβ-ヘキサヒドロ-1aβ-(ヒドロキシメチル)オキシレノ[4,5]シクロペンタ[1,2-c]ピラン-2α-イル]β-D-グルコピラノシド
  • [(1aS)-1a,1bα,2,5aα,6,6aβ-ヘキサヒドロ-6α-[(3-O,4-O-ジベンゾイル-α-L-ラムノピラノシル)オキシ]-1a-(ヒドロキシメチル)オキシレノ[4,5]シクロペンタ[1,2-c]ピラン-2α-イル]β-D-グルコピラノシド
  • (2S,3S,4S,5R,6S)-3-(ベンゾイルオキシ)-5-ヒドロキシ-6-{[(1S,2S,4S,5S,6R,10S)-2-(ヒドロキシメチル)-10-{[(2S,3R,4S,5S,6R)-3,4,5-トリヒドロキシ-6-(ヒドロキシメチル)オキサン-2-イル]オキシ}-3,9-ジオキサトリシクロ[4.4.0.02,4]デカ-7-エン-5-イル]オキシ}-2-メチルオキサン-4-イル ベンゾアート
  • (2S,3S,4S,5R,6S)-3-(benzoyloxy)-5-hydroxy-6-{[(1S,2S,4S,5S,6R,10S)-2-(hydroxymethyl)-10-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-5-yl]oxy}-2-methyloxan-4-yl benzoate
Other name (4):
  • [(1aS)-6α-[[3-O,4-O-Dibenzoyl-6-deoxy-α-L-mannopyranosyl]oxy]-1a,1bα,2,5aα,6,6aβ-hexahydro-1aβ-(hydroxymethyl)oxireno[4,5]cyclopenta[1,2-c]pyran-2α-yl]β-D-glucopyranoside
  • [(1aS)-1a,1bα,2,5aα,6,6aβ-Hexahydro-6α-[(3-O,4-O-dibenzoyl-α-L-rhamnopyranosyl)oxy]-1a-(hydroxymethyl)oxireno[4,5]cyclopenta[1,2-c]pyran-2α-yl]β-D-glucopyranoside
  • 6-O-α-L-(3′′-O,4′′-Oジベンゾイル)ラムノピラノシルカタルポール
  • 6-O-α-L-(3′′-O,4′′-O-Dibenzoyl)rhamnopyranosylcatalpol
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